ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-[(1,3-benzothiazol-2-ylthio)methyl]-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-methylpyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-[(1,3-benzothiazol-2-ylthio)methyl]-6-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H19N5O2S3 MolecularWeight: 493.62426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C23H19N5O2S3/c1-3-30-20(29)19-13(2)24-21(28-22-26-14-8-4-6-10-17(14)32-22)25-16(19)12-31-23-27-15-9-5-7-11-18(15)33-23/h4-11H,3,12H2,1-2H3,(H,24,25,26,28)